74718-18-6

• 常用中文名：5-PHENYL-2-(4-PYRIDYL)OXAZOLE METHYL
• 常用英文名：5-PHENYL-2-(4-PYRIDYL)OXAZOLE METHYL
• CAS号：74718-18-6
• 分子式：C₂₂H₂₀N₂O₄S
• 分子量：408.47000
• 发布时间：2016-02-01 10:27:01
• 更新时间：2024-02-25 19:53:17

名称

• 英文名: 4-methylbenzenesulfonate,2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole
• 英文别名: Pyridinium,1-methyl-4-(5-phenyl-2-oxazolyl)-,p-toluenesulfonate; Pyridinium,1-methyl-4-(5-phenyl-2-oxazolyl)-,salt with 4-methylbenzenesulfonic acid (1:1); 4-2-(5-Phenyloxazolyl)-1-methylpyridinium p-toluenesulfonate; 1-Methyl-4-(5-phenyl-2-oxazolyl)pyridinium p-toluenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole

物化性质

• 分子式: C₂₂H₂₀N₂O₄S
• 分子量: 408.47000
• 精确质量: 408.11400
• PSA: 99.94000
• LogP: 3.29040
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积95.5

  7.重原子数量:29

  8.表面电荷:0

  9.复杂度:450

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

毒性和生态

毒理学数据: 急性毒性：小鼠经腹膜腔LDL0：100mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : UU6610000 CHEMICAL NAME : Pyridinium, 1-methyl-4-(5-phenyl-2-oxazolyl)-, p-toluenesulfonate CAS REGISTRY NUMBER : 74718-18-6 LAST UPDATED : 198806 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C15-H13-N2-O.C7-H7-O3-S MOLECULAR WEIGHT : 408.50 WISWESSER LINE NOTATION : T6NJ A1 D- BT5N COJ DR &WSO&R D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - body temperature decrease REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,401,1958

安全

• 海关编码: 2934999090

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%